[3-amino-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C26H26N8O2 — CID 59785210

IUPAC[3-amino-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccc2c(c1)CCc1cnc(-n3cc(C(=O)N4CCN(c5ccccn5)CC4)c(N)n3)nc1-2
InChIInChI=1S/C26H26N8O2/c1-36-19-7-8-20-17(14-19)5-6-18-15-29-26(30-23(18)20)34-16-21(24(27)31-34)25(35)33-12-10-32(11-13-33)22-4-2-3-9-28-22/h2-4,7-9,14-16H,5-6,10-13H2,1H3,(H2,27,31)
InChIKeyKDBPDDQKQWGXNO-UHFFFAOYSA-N
MW482.55 g/mol
LogP2.38
Rot. Bonds4

About [3-amino-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[3-amino-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 59785210) has the molecular formula C26H26N8O2 and a molecular weight of 482.55 g/mol. Its IUPAC name is [3-amino-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-amino-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID59785210
Molecular FormulaC26H26N8O2
Molecular Weight482.55 g/mol
Exact Mass482.22
IUPAC Name[3-amino-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccc2c(c1)CCc1cnc(-n3cc(C(=O)N4CCN(c5ccccn5)CC4)c(N)n3)nc1-2
InChIInChI=1S/C26H26N8O2/c1-36-19-7-8-20-17(14-19)5-6-18-15-29-26(30-23(18)20)34-16-21(24(27)31-34)25(35)33-12-10-32(11-13-33)22-4-2-3-9-28-22/h2-4,7-9,14-16H,5-6,10-13H2,1H3,(H2,27,31)
InChIKeyKDBPDDQKQWGXNO-UHFFFAOYSA-N
XLogP2.38
TPSA115.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [3-amino-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[3-amino-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-[4-(6-chloro-3-pyridinyl)piperazin-1-yl]methanone
CID 59785026
3-amino-N-[3-fluoro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide
CID 59785330
[3-amino-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 59784830
1-[3-amino-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-2-[4-(pyridin-4-ylmethyl)phenyl]ethanone
CID 59784907
3-amino-N-[2-(1H-indol-3-yl)ethyl]-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide
CID 59785365
3-amino-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[4-[3-(4-methylpiperazin-1-yl)prop-1-enyl]phenyl]pyrazole-4-carboxamide
CID 72561195
3-amino-N-[4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]phenyl]-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide
CID 59784692
[1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 26348088
1-[5-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)indol-1-yl]ethanone
CID 113212751
2-(4-methoxyphenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110436668
4-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 53143999
1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 166613247

Frequently Asked Questions

What is the IUPAC name of [3-amino-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-amino-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 59785210) is [3-amino-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-amino-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-amino-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is COc1ccc2c(c1)CCc1cnc(-n3cc(C(=O)N4CCN(c5ccccn5)CC4)c(N)n3)nc1-2.
What is the InChIKey of [3-amino-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is KDBPDDQKQWGXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O2/c1-36-19-7-8-20-17(14-19)5-6-18-15-29-26(30-23(18)20)34-16-21(24(27)31-34)25(35)33-12-10-32(11-13-33)22-4-2-3-9-28-22/h2-4,7-9,14-16H,5-6,10-13H2,1H3,(H2,27,31).
What are the key properties of [3-amino-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[3-amino-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 482.55 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 59785210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).